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Name | SCHEMBL1717126 |
---|---|
Molecular formula | C24H23FN4O4 |
IUPAC name | 3-[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidine-1-carbonyl]-4-pyrimidin-2-ylbenzoic acid |
Molecular weight | 450.47 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 3.1 |
Synonyms | US8569311, H-4 CHEMBL3655668 BDBM104695 |
Inchi Key | NAEPLEBEZUHESC-HZPDHXFCSA-N |
Inchi ID | InChI=1S/C24H23FN4O4/c1-15-3-4-16(14-33-21-8-6-18(25)12-28-21)13-29(15)23(30)20-11-17(24(31)32)5-7-19(20)22-26-9-2-10-27-22/h2,5-12,15-16H,3-4,13-14H2,1H3,(H,31,32)/t15-,16-/m1/s1 |
PubChem CID | 25123839 |
ChEMBL | CHEMBL3655668 |
IUPHAR | N/A |
BindingDB | 104695 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
218367 | Orexin receptor type 1 | P56718 | Hcrtr1 | Rattus norvegicus (Rat) | 416 |
218366 | Orexin receptor type 2 | P56719 | Hcrtr2 | Rattus norvegicus (Rat) | 460 |
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